Geometry & MOs

Info

ID:	416811
PubChem CID:	135090465
Reduced:	SN4O4C21H26 (1)
Stoich.:	AB4C4D21E26 (1)
Weight, g/mol:	454.152016
ΔH_f, kcal/mol:	-106.76
Dipole, Da:	8.63
IP(EA), eV:	-9.02(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,8S)-6-(5-chloropyridin-2-yl)-9,18-dioxa-3,6,12,13,14-pentazatetracyclo[17.3.1.111,14.04,8]tetracosa-1(23),11(24),12,19,21-pentaen-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=NC=C(C=C2)C(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations